Geometry & MOs

Info

ID:

434936

PubChem CID:

135176034

Reduced:

BrSF2N3O4C30H32 (1)

Stoich.:

ABC2D3E4F30G32 (1)

Weight, g/mol:

747.17893

ΔHf, kcal/mol:

-196.35

Dipole, Da:

3.36

IP(EA), eV:

 -9.02(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-2-[(6-cyclobutyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F

DOS

IR

Vibrations